Information card for entry 4087129

Structure parameters

• Formula: C36 H42 Si4
• Calculated formula: C36 H42 Si4
• SMILES: c1(cc(c2ccc3c(cc(c4ccc1c2c34)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: Trimethylsilyl Group Assisted Stimuli Response: Self-Assembly of 1,3,6,8-Tetrakis((trimethysilyl)ethynyl)pyrene
• Authors of publication: Xu, Feng; Nishida, Takanori; Shinohara, Kenta; Peng, Lifen; Takezaki, Makoto; Kamada, Takahiro; Akashi, Haruo; Nakamura, Hiromu; Sugiyama, Kouki; Ohta, Kazuchika; Orita, Akihiro; Otera, Junzo
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 556
• a: 6.316 ± 0.0018 Å
• b: 10.023 ± 0.003 Å
• c: 15.378 ± 0.005 Å
• α: 70.431 ± 0.009°
• β: 81.29 ± 0.012°
• γ: 80.513 ± 0.013°
• Cell volume: 899.9 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No